Geometry & MOs

Info

ID:

334231

PubChem CID:

127252783

Reduced:

N3O5H19C23 (1)

Stoich.:

A3B5C19D23 (1)

Weight, g/mol:

459.131802

ΔHf, kcal/mol:

-62.15

Dipole, Da:

2.35

IP(EA), eV:

 -8.5(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(13Z)-13-[(3,4-dimethoxyphenyl)methylidene]-14-oxo-2,12-dioxa-4-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11(15),16-hexaen-9-yl]acetate

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations